N-(diaminomethylidene)-4-phenyl-2-propan-2-yl-5-sulfamoylbenzamide

C17H20N4O3S — CID 18976412

IUPACN-(diaminomethylidene)-4-phenyl-2-propan-2-yl-5-sulfamoylbenzamide
SMILESCC(C)c1cc(-c2ccccc2)c(S(N)(=O)=O)cc1C(=O)N=C(N)N
InChIInChI=1S/C17H20N4O3S/c1-10(2)12-8-13(11-6-4-3-5-7-11)15(25(20,23)24)9-14(12)16(22)21-17(18)19/h3-10H,1-2H3,(H2,20,23,24)(H4,18,19,21,22)
InChIKeyHCTDDGLQPCVIKL-UHFFFAOYSA-N
MW360.44 g/mol
LogP1.54
Rot. Bonds4

About N-(diaminomethylidene)-4-phenyl-2-propan-2-yl-5-sulfamoylbenzamide

N-(diaminomethylidene)-4-phenyl-2-propan-2-yl-5-sulfamoylbenzamide (PubChem CID 18976412) has the molecular formula C17H20N4O3S and a molecular weight of 360.44 g/mol. Its IUPAC name is N-(diaminomethylidene)-4-phenyl-2-propan-2-yl-5-sulfamoylbenzamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-4-phenyl-2-propan-2-yl-5-sulfamoylbenzamide
PubChem CID18976412
Molecular FormulaC17H20N4O3S
Molecular Weight360.44 g/mol
Exact Mass360.13
IUPAC NameN-(diaminomethylidene)-4-phenyl-2-propan-2-yl-5-sulfamoylbenzamide
SMILESCC(C)c1cc(-c2ccccc2)c(S(N)(=O)=O)cc1C(=O)N=C(N)N
InChIInChI=1S/C17H20N4O3S/c1-10(2)12-8-13(11-6-4-3-5-7-11)15(25(20,23)24)9-14(12)16(22)21-17(18)19/h3-10H,1-2H3,(H2,20,23,24)(H4,18,19,21,22)
InChIKeyHCTDDGLQPCVIKL-UHFFFAOYSA-N
XLogP1.54
TPSA141.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-(4-methylphenyl)-2-propan-2-yl-5-sulfamoylbenzoic acid
CID 140967689
N-(diaminomethylidene)-2-(difluoromethyl)-5-methylsulfonyl-4-pyridin-3-ylbenzamide
CID 18919971
2-bromo-N-(diaminomethylidene)-4-(4-methylphenyl)-5-methylsulfonylbenzamide
CID 18976358
2-(2-phenyl-4-propan-2-ylphenyl)sulfonylguanidine
CID 140967674
N-(diaminomethylidene)-2-methyl-4-(4-methylphenyl)-5-methylsulfonylbenzamide;hydrochloride
CID 172812581
N-(diaminomethylidene)-2-ethyl-4-propyl-5-sulfamoylbenzamide
CID 18937160
4-amino-6-phenylbenzene-1,3-disulfonamide
CID 21393685
4-hydroxy-2-phenylbenzenesulfonamide
CID 141283170
2-amino-4-chloro-N-(diaminomethylidene)-5-sulfamoylbenzamide;dihydrochloride
CID 22376922
methyl 4-ethyl-2-propan-2-yl-5-sulfamoylbenzoate
CID 18937045
2-bromo-4-butan-2-yl-N-(diaminomethylidene)-5-methylsulfonylbenzamide
CID 22377199
N-(diaminomethylidene)-4-(3,5-dichlorophenyl)-2-methyl-5-methylsulfonylbenzamide
CID 10810981

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-4-phenyl-2-propan-2-yl-5-sulfamoylbenzamide?
The IUPAC name of N-(diaminomethylidene)-4-phenyl-2-propan-2-yl-5-sulfamoylbenzamide (CID 18976412) is N-(diaminomethylidene)-4-phenyl-2-propan-2-yl-5-sulfamoylbenzamide.
What is the SMILES notation for N-(diaminomethylidene)-4-phenyl-2-propan-2-yl-5-sulfamoylbenzamide?
The canonical SMILES for N-(diaminomethylidene)-4-phenyl-2-propan-2-yl-5-sulfamoylbenzamide is CC(C)c1cc(-c2ccccc2)c(S(N)(=O)=O)cc1C(=O)N=C(N)N.
What is the InChIKey of N-(diaminomethylidene)-4-phenyl-2-propan-2-yl-5-sulfamoylbenzamide?
The InChIKey is HCTDDGLQPCVIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3S/c1-10(2)12-8-13(11-6-4-3-5-7-11)15(25(20,23)24)9-14(12)16(22)21-17(18)19/h3-10H,1-2H3,(H2,20,23,24)(H4,18,19,21,22).
What are the key properties of N-(diaminomethylidene)-4-phenyl-2-propan-2-yl-5-sulfamoylbenzamide?
N-(diaminomethylidene)-4-phenyl-2-propan-2-yl-5-sulfamoylbenzamide has a molecular weight of 360.44 g/mol, XLogP of 1.54, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-4-phenyl-2-propan-2-yl-5-sulfamoylbenzamide is sourced from PubChem (CID 18976412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).